SCHEMBL16701550

SCHEMBL16701550

COc1cccc(-c2cc(C(=O)Nc3ccc(-c4ccc(OC5CCN(C)CC5)cc4)c(OC)c3)ccc2OC)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.61
HSP90AB1 P08238 3/20 0.61
PLAU P00749 4/20 0.50
PLAT P00750 3/20 0.50
MAPK14 Q16539 2/20 0.50
CYP1A2 P05177 1/20 0.50
POLB P06746 1/20 0.50
CYP3A4 P08684 1/20 0.50
LCK P06239 1/20 0.50
KDR P35968 1/20 0.50
PLG P00747 2/20 0.48
MCHR1 Q99705 1/20 0.48
TRPV1 Q8NER1 3/20 0.46
HTR1D P28221 2/20 0.45
PDE5A O76074 1/20 0.44
PDE1A P54750 1/20 0.44
PDE1B Q01064 1/20 0.44
PDE1C Q14123 1/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16701382 0.95 HSP90AA1 (0.60) HSP90AA1HSP90AB1PLAUPLATMAPK14
SCHEMBL16701693 0.95 HSP90AA1 (0.61) HSP90AA1HSP90AB1PLAUPLATMAPK14
SCHEMBL16701388 0.95 HSP90AA1 (0.62) HSP90AA1HSP90AB1PLAUPLATMAPK14
SCHEMBL16701826 0.94 HSP90AA1 (0.57) HSP90AA1HSP90AB1PLAUPLATMAPK14
SCHEMBL16701387 0.94 HSP90AA1 (0.57) HSP90AA1HSP90AB1PLAUPLATMAPK14
SCHEMBL16701830 0.93 HSP90AA1 (0.61) HSP90AA1HSP90AB1PLAUPLATMAPK14
SCHEMBL16712953 0.93 HSP90AA1 (0.58) HSP90AA1HSP90AB1PLAUPLATMAPK14
SCHEMBL16701662 0.93 HSP90AA1 (0.58) HSP90AA1HSP90AB1PLAUPLATMAPK14
SCHEMBL16701941 0.92 HSP90AA1 (0.60) HSP90AA1HSP90AB1PLAUPLATMAPK14
SCHEMBL16701503 0.92 HSP90AA1 (0.55) HSP90AA1HSP90AB1PLAUPLATMAPK14

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3066072-B1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS UNIV KANSAS (US) 2021-11-03 EP disclosed
EP-3066072-B1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS UNIV KANSAS (US) 2021-11-03 EP disclosed
US-10689344-B2 Biphenylamide derivative Hsp90 inhibitors UNIVERSITY OF KANSAS (US) 2020-06-23 US disclosed
US-10689344-B2 Biphenylamide derivative Hsp90 inhibitors UNIVERSITY OF KANSAS (US) 2020-06-23 US disclosed
US-20160272584-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS UNIVERSITY OF KANSAS (US) 2016-09-22 US disclosed
US-20160272584-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS UNIVERSITY OF KANSAS (US) 2016-09-22 US disclosed
EP-3066072-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS The University of Kansas (US) 2016-09-14 EP disclosed
WO-2015070091-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS THE UNIVERSITY OF KANSAS (US) 2015-05-14 WO disclosed
WO-2015070091-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS THE UNIVERSITY OF KANSAS (US) 2015-05-14 WO disclosed
US-8692018-B2 Application of iridium complexes in asymmetric catalytic hydrogenation of unsaturated carboxylic acids Zheijiang Jiuzhou Pharmaceutical Co., Ltd. (CN) 2014-04-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10689344-B2 Biphenylamide derivative Hsp90 inhibitors HSP90AB1, HSP90AA1, HSP90AB2P HSP90AA1 2/4885HSP90AB1 1/4885PLAU 4810/4885
US-20160272584-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90AB2P HSP90AA1 2/4885HSP90AB1 1/4885PLAU 4810/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.